SCHEMBL6855899

SCHEMBL6855899

Cc1cc(NCCCn2ccnc2)n2ncc([N+](=O)[O-])c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.65
MAPT P10636 6/20 0.65
RAB9A P51151 4/20 0.65
NPC1 O15118 4/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
HSD17B10 Q99714 3/20 0.65
TP53 P04637 2/20 0.65
MITF O75030 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 10/20 0.62
HPGD P15428 5/20 0.62
LMNA P02545 4/20 0.62
CLK1 P49759 1/20 0.62
POLB P06746 3/20 0.57
GAA P10253 2/20 0.57
GLA P06280 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
HTT P42858 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26912937 0.83 KDM4E (0.70) KDM4EMAPTRAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL6850196 0.80 KDM4E (0.45) KDM4EMAPTRAB9ANPC1MEN1
SCHEMBL7004934 0.79 KDM4E (0.43) KDM4EMAPTRAB9ANPC1MEN1
SCHEMBL7474520 0.79 KMT2A (0.46) KDM4EMAPTRAB9ANPC1MEN1
SCHEMBL16935080 0.77 KDM4E (1.00) KDM4EMAPTRAB9ANPC1MEN1
SCHEMBL5189414 0.73 CYP19A1 (0.60) KDM4EMAPTRAB9ANPC1MEN1
SCHEMBL7642996 0.71 QPCT (0.56) KDM4EALDH1A1LMNAPOLBCYP19A1
SCHEMBL16934918 0.70 RAB9A (0.74) KDM4EMAPTRAB9ANPC1MEN1
SCHEMBL16934900 0.69 ALDH1A1 (1.00) KDM4EMAPTRAB9ANPC1MEN1
SCHEMBL5718416 0.69 CYP19A1 (0.50) KDM4EMAPTMEN1KMT2AHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6783557-B1 NOVEL PYRAZOLO(1,5-A)PYRIMIDINES COMPRISING AT LEAST ONE CATIONIC GROUP L'OREAL S.A. (FR) 2004-08-31 US disclosed
EP-1147109-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2003-04-02 EP disclosed
EP-1147109-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS ET DYEING METHODS L'OREAL (FR) 2001-10-24 EP disclosed
WO-2000043396-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS ET DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed